CID 9658

Perfluoroethyl ether

Structural Information

Molecular Formula

C₄F₁₀O

SMILES

C(C(F)(F)F)(OC(C(F)(F)F)(F)F)(F)F

InChI

InChI=1S/C4F10O/c5-1(6,7)3(11,12)15-4(13,14)2(8,9)10

InChIKey

ORNGPPZBMMHKPM-UHFFFAOYSA-N

Compound name

1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 1691
Patents: 253.97894 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	254.98622	139.6
[M+Na]+	276.96816	149.8
[M-H]-	252.97166	128.6
[M+NH4]+	272.01276	156.0
[M+K]+	292.94210	148.1
[M+H-H2O]+	236.97620	128.4
[M+HCOO]-	298.97714	147.3
[M+CH3COO]-	312.99279	193.4
[M+Na-2H]-	274.95361	144.8
[M]+	253.97839	125.4
[M]-	253.97949	125.4

Literature stripe

literature stripe

Patent stripe

patents stripe